1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride

C12H17BrClFN2 — CID 119905765

IUPAC1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
SMILESCNC1CCN(Cc2cc(F)ccc2Br)C1.Cl
InChIInChI=1S/C12H16BrFN2.ClH/c1-15-11-4-5-16(8-11)7-9-6-10(14)2-3-12(9)13;/h2-3,6,11,15H,4-5,7-8H2,1H3;1H
InChIKeyOSJXOOZWNFOFFW-UHFFFAOYSA-N
MW323.64 g/mol
LogP2.80
Rot. Bonds3

About 1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride

1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride (PubChem CID 119905765) has the molecular formula C12H17BrClFN2 and a molecular weight of 323.64 g/mol. Its IUPAC name is 1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
PubChem CID119905765
Molecular FormulaC12H17BrClFN2
Molecular Weight323.64 g/mol
Exact Mass322.02
IUPAC Name1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
SMILESCNC1CCN(Cc2cc(F)ccc2Br)C1.Cl
InChIInChI=1S/C12H16BrFN2.ClH/c1-15-11-4-5-16(8-11)7-9-6-10(14)2-3-12(9)13;/h2-3,6,11,15H,4-5,7-8H2,1H3;1H
InChIKeyOSJXOOZWNFOFFW-UHFFFAOYSA-N
XLogP2.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.64
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpiperidin-3-amine
CID 55086252
1-[1-[(2-bromo-5-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 55169050
1-[(2-bromo-5-fluorophenyl)methyl]-3-methylpiperidin-4-ol
CID 114681427
1-[(2,5-difluorophenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 119918436
3-[(2-bromo-5-fluorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927578
1-[(2-bromo-5-fluorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910188
4-fluoro-2-[[3-(methylamino)piperidin-1-yl]methyl]phenol
CID 104869408
1-[(2-bromo-5-fluorophenyl)methyl]piperidin-3-ol
CID 62021902
N-[[1-[(2-bromo-5-fluorophenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 80552381
1-[(2-fluoro-4-methylphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 118671533
1-[(2-bromo-5-fluorophenyl)methyl]piperidine
CID 137320857
1-[(2-bromo-5-fluorophenyl)methyl]azepane
CID 146004203

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride (CID 119905765) is 1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride is CNC1CCN(Cc2cc(F)ccc2Br)C1.Cl.
What is the InChIKey of 1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride?
The InChIKey is OSJXOOZWNFOFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2.ClH/c1-15-11-4-5-16(8-11)7-9-6-10(14)2-3-12(9)13;/h2-3,6,11,15H,4-5,7-8H2,1H3;1H.
What are the key properties of 1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride?
1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride has a molecular weight of 323.64 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119905765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).